Theoretical Investigation of the Crystal Structure and Electronic and Dielectric Properties of the Potential Multiferroic (C2H5NH3)2FeCl4
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概要
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The results of first-principles calculations of the antiferromagnetic potential multiferroic material (C2H5NH3)2FeCl4, ethyl ammonium tetrachloroferrate(II), are presented. Its crystal structure has been optimized using X-ray diffraction data as an initial guess for the atomic positions. The spontaneous polarization is predicted to be approximately 20% of that of the perovskite ferroelectrics.
- 2010-08-25
著者
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Oguchi Tamio
Department Of Engineering Physics The University Of Electro-communications
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Oguchi Tamio
Department of Quantum Matter, ADSM, Hiroshima University, 1-3-1 Kagamiyama, Higashihiroshima, Hiroshima 739-8530, Japan
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Baettig Pio
Department of Quantum Matter, ADSM, Hiroshima University, 1-3-1 Kagamiyama, Higashihiroshima, Hiroshima 739-8530, Japan
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